Di-n-butyl-2-bromo-2-methylmalonat | 34817-41-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Di-n-butyl-2-bromo-2-methylmalonat
• 英文别名: Di-tert.-butyl-2-brom-2-methyl-malonat；Di-t-butyl 2-Bromo-2-methylmalonate；ditert-butyl 2-bromo-2-methylpropanedioate
• CAS: 34817-41-9
• 化学式: C₁₂H₂₁BrO₄
• 分子量: 309.2
• InChiKey: JNQFSQKQGRNFAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  巴豆醛 、 2-二甲氧基磷酰丁二酸二甲酯 、 Di-n-butyl-2-bromo-2-methylmalonat 生成 Methyl 3-Carbomethoxy-7,7-dicarbo-tert-butoxy-6-methyl-trans-trans-2,4-octadienoat
  参考文献：
  名称：

  Bromomalonates as synthetic reagents. Transfer alkylations

  摘要：

  DOI：

  10.1021/ja00421a025
• 作为产物：
  描述：

  di-tert-butyl 2-methylmalonate 在 溴 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 Di-n-butyl-2-bromo-2-methylmalonat
  参考文献：
  名称：

  3-Acetoxymethyl cephalosporins having at position-7 a carboxy

  摘要：

  这种3-乙酰氧甲基头孢菌素抗生素，其中7-β-酰胺基团具有结构##STR1## 其中R是噻吩基、呋喃基或苯基；R.sup.a是C.sub.1-4烷基、C.sub.2-4烯基、C.sub.3-7环烷基或苯基，R.sup.b是氢、羧基、C.sub.2-C.sub.5羰基酯或R.sup.a指定的任何基团，或R.sup.a和R.sup.b与它们连接的碳原子一起形成C.sub.3-7环烷基亚甲基或环烯基亚甲基团；表现出广谱抗生素活性，特别是对革兰氏阴性微生物具有极高的活性，包括那些产生β-内酰胺酶的。这些化合物是同构体或存在至少90%同构体的同和反异构体的混合物，对大肠杆菌、流感嗜血杆菌和变形杆菌菌株表现出特别高的体外活性；并且还表现出对铜绿假单胞菌具有异常高的活性。

  公开号：

  US04144393A1

文献信息

• Nickel-Catalyzed Remote Arylation of Alkenyl Aldehydes Initiated by Radical Alkylation with Tertiary α-Carbonyl Alkyl Bromides
  作者：Weiwei Jin、Yulu Zhou、Ying Zhao、Qianqian Ma、Lichun Kong、Gangguo Zhu

  DOI：10.1021/acs.orglett.8b00221

  日期：2018.3.2

  A novel nickel-catalyzed remote arylation of alkenyl aldehydes triggered by radical alkylation with tertiary α-carbonyl alkyl bromides is described, thus producing a quaternary carbon center containing ketones in promising yields with broad functional group compatibility. Preliminary mechanistic studies suggest that the combination of a 1,n-HAT (n = 5 or 6) from alkyl radicals to aldehyde C–H bonds

  描述了由叔α-羰基烷基溴的自由基烷基化引发的烯基醛的新型镍催化的远程芳基化，从而以具有希望的产率与广泛的官能团相容性产生了含有酮的季碳中心。初步的机理研究表明，在镍催化下，烷基中的1，n -HAT（n = 5或6）与醛C–H键的结合可能是导致此反应的原因。
• 3-Carbamoyloxymethyl or
  申请人：Glaxo Laboratories Limited

  公开号：US04095021A1

  公开（公告）日：1978-06-13

  Cephalosporin antibiotics in which the 7.beta.-acylamido group has the structure ##STR1## (where R is thienyl or furyl; R.sup.a and R.sup.b are each selected from hydrogen, C.sub.1-4 alkyl, C.sub.2-4 alkenyl, C.sub.3-7 cycloalkyl, phenyl, naphthyl, thienyl, furyl, carboxy, C.sub.2-5 alkoxycarbonyl and cyano, or R.sup.a and R.sup.b together with the carbon atom to which they are attached form a C.sub.3-7 cycloalkylidene or cycloalkenylidene group; and m and n are each 0 or 1 such that the sum of m and n is 0 or 1) exhibit broad spectrum antibiotic activity characterized by particularly high activity against gram negative microorganisms, including those which produce .beta.-lactamases. The compounds, which are syn isomers or exist as mixtures of syn and anti isomers containing at least 90% of the syn isomer, have particularly high in vitro activity against strains of Escherichia coli, Haemophilus influenzae and Proteus organisms; compounds wherein at least one of R.sup.a and R.sup.b is other than hydrogen have also shown unusually high activity against Pseudomonas organisms. Important compounds of the above type include those in which the 7.beta.-acylamido group is a syn-2-carboxymethoxy-2-(fur-2-yl)acetamido, syn-2-(2-carboxyprop-2-yloxyimino)-2-(fur-2-yl)acetamido or syn-2-(1-carboxycyclopent-1-yloxyimino)-2-(fur-2-yl)acetamido group.

  7-β-酰胺基头孢菌素，其结构中的7-β-酰胺基团具有以下结构：##STR1##（其中R为噻吩基或呋喃基；R.sup.a和R.sup.b分别选自氢，C.sub.1-4烷基，C.sub.2-4烯基，C.sub.3-7环烷基，苯基，萘基，噻吩基，呋喃基，羧基，C.sub.2-5烷氧基羰基和氰基，或R.sup.a和R.sup.b与它们附着的碳原子形成C.sub.3-7环烷基亚甲基或环烯基亚甲基基团；m和n各为0或1，使m和n的和为0或1），表现出广谱抗生素活性，特别是对革兰氏阴性微生物，包括产生β-内酰胺酶的微生物具有特别高的活性。这些化合物是同构体或存在于至少90％为同构体的同和反异构体混合物，对大肠杆菌，流感嗜血杆菌和变形杆菌的菌株具有特别高的体外活性；其中至少有一个R.sup.a和R.sup.b不是氢的化合物也表现出对铜绿假单胞菌的异常高活性。上述类型的重要化合物包括其中7-β-酰胺基团为同-2-羧甲氧基-2-（呋喃-2-基）乙酰氨基，同-2-（2-羧基丙-2-氧基亚氨基）-2-（呋喃-2-基）乙酰氨基或同-2-（1-羧环戊-1-氧基亚氨基）-2-（呋喃-2-基）乙酰氨基基团的化合物。
• 7-(Carboxy substituted .alpha.-etherified oximino arylacetamido)
  申请人：Glaxo Laboratories Limited

  公开号：US04103084A1

  公开（公告）日：1978-07-25

  Cephalosporin antibiotics in which the 7.beta.-acylamido group has the structure ##STR1## (where R is thienyl or furyl; R.sup.a and R.sup.b are each selected from hydrogen, C.sub.1-4 alkyl, C.sub.2-4 alkenyl, C.sub.3-7 cycloalkyl, phenyl, naphthyl, thienyl, furyl, carboxy, C.sub.2-5 alkoxycarbonyl and cyano, or R.sup.a and R.sup.b together with the carbon atom to which they are attached form a C.sub.3-7 cycloalkylidene or cycloalkenylidene group; and m and n are each 0 or 1 such that the sum of m and n is 0 or 1) exhibit broad spectrum antibiotic activity characterized by particularly high activity against gram negative microorganisms, including those which produce .beta.-lactamases. The compounds, which are syn isomers or exist as mixtures of syn and anti isomers containing at least 90% of the syn isomer, have particularly high in vitro activity against strains of Escherichia coli, Haemophilus influenzae and Proteus organisms; compounds wherein at least one of R.sup.a and R.sup.b is other than hydrogen have also shown unusually high activity against Pseudomonas organisms. Important compounds of the above type include those in which the 7.beta.-acylamido group is a syn-2-carboxymethoxy-2-(fur-2-yl)acetamido, syn-2-(2-carboxyprop-2-yloxyimino)-2-(fur-2-yl)acetamido or syn-2-(1-carboxycyclopent-1-yloxyimino)-2-(fur-2-yl)acetamido group.

  7-β-酰胺基头孢菌素，其结构中7-β-酰胺基团具有以下结构：##STR1##（其中R为噻吩基或呋喃基；R.sup.a和R.sup.b分别选自氢，C.sub.1-4烷基，C.sub.2-4烯基，C.sub.3-7环烷基，苯基，萘基，噻吩基，呋喃基，羧基，C.sub.2-5烷氧羰基和氰基，或R.sup.a和R.sup.b与它们附着的碳原子形成C.sub.3-7环烷基亚甲基或环烯基亚甲基；m和n分别为0或1，使m和n的和为0或1），表现出广谱抗生素活性，其特点是对革兰氏阴性微生物特别高效，包括产生β-内酰胺酶的微生物。这些化合物是同构体或存在至少90％的同构体和反构体的混合物，对大肠杆菌，流感嗜血杆菌和变形杆菌菌株的体外活性特别高；其中R.sup.a和R.sup.b中至少有一个不是氢的化合物也显示出对假单胞菌的异常高活性。上述类型的重要化合物包括其中7-β-酰胺基团为syn-2-羧甲氧基-2-（呋喃-2-基）乙酰胺基，syn-2-（2-羧基丙-2-氧基亚胺）-2-（呋喃-2-基）乙酰胺基或syn-2-（1-羧基环戊-1-氧基亚胺）-2-（呋喃-2-基）乙酰胺基团的化合物。
• US4103084A
  申请人：——

  公开号：US4103084A

  公开（公告）日：1978-07-25
• US4144393A
  申请人：——

  公开号：US4144393A

  公开（公告）日：1979-03-13